Molecule ID: mol4724

SMILES: Cc1cnc2nc(N)nc(C)c2n1

InChI: InChI=1S/C8H9N5/c1-4-3-10-7-6(11-4)5(2)12-8(9)13-7/h3H,1-2H3,(H2,9,10,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.66 IUPAC digitized pKa 1 » 0
2.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization